RefChem:1080300
TL;DR: RefChem:1080300 (CAS 171199-22-7) is a chemical compound with molecular formula C6H11CaCl3N2O2 and molecular weight 287.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;[(Z)-1-chlorobutylideneamino] N-methylcarbamate;dichloride
Also Known As: N-(((Methylamino)carbonyl)oxy)butanimidoyl chloride compd. with calcium chloride, Butanimidoyl chloride, N-(((methylamino)carbonyl)oxy)-, compd. with calcium chloride, calcium;[(Z)-1-chlorobutylideneamino] N-methylcarbamate;dichloride, RefChem:1080300
| Molecular Formula | C6H11CaCl3N2O2 |
|---|---|
| Molecular Weight | 287.95 g/mol |
| LogP | -4.678 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.9512 |
| Heavy Atoms | 14 |
| Complexity | 169.15561 |
Chemical Identifiers
| CAS Number | 171199-22-7 |
|---|---|
| SMILES | CCC/C(=N/OC(=O)NC)/Cl.[Cl-].[Cl-].[Ca+2] |
Product Overview
RefChem:1080300 (CAS 171199-22-7), with molecular formula C6H11CaCl3N2O2 and molecular weight 287.95 g/mol. IUPAC: calcium;[(Z)-1-chlorobutylideneamino] N-methylcarbamate;dichloride.
Chemical Property Profile of RefChem:1080300
Property Insights of RefChem:1080300
The XLogP value of -4.678 indicates that RefChem:1080300 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.69 Ų, RefChem:1080300 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080300 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1080300?
The CAS number of RefChem:1080300 is 171199-22-7.
What is the molecular formula of RefChem:1080300?
The molecular formula of RefChem:1080300 is C6H11CaCl3N2O2.
What is the molecular weight of RefChem:1080300?
The molecular weight of RefChem:1080300 is 287.95 g/mol.
Where can I buy RefChem:1080300?
You can request a quote for RefChem:1080300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080300?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.